[OsH4(4-methylpyridine)(P(i-Pr)3)2] | 1164346-25-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [OsH4(4-methylpyridine)(P(i-Pr)3)2]
• CAS: 1164346-25-1
• 化学式: C₂₄H₅₃NOsP₂
• 分子量: 607.839
• InChiKey: GSPYHWXESNEIKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  吡啶 、 [OsH4(4-methylpyridine)(P(i-Pr)3)2] 以 二氯甲烷-D2 为溶剂， 生成 [OsH4(pyridine)(P(i-Pr)3)2]
  参考文献：
  名称：

  Stoichiometric and Catalytic Deuteration of Pyridine and Methylpyridines by H/D Exchange with Benzene-d₆ Promoted by an Unsaturated Osmium Tetrahydride Species

  摘要：

  Treatment of toluene solutions of the hexahydride complex OsH6((PPr3)-Pr-i)(2) (1) With pyridine, 3-methylpyridine, and 4-triethylpyridine affords the tetrahydride derivatives OsH4(Rpy)((PPr3)-Pr-i)(2) (Rpy = py (3), 3-methylpyridine (4), and 4-methylpyridine (5)). In benzene-d(6), these compounds release the heterocycles, and the resulting unsaturated tetrahydride OsH4((PPr3)-Pr-i)(2) (2) promotes the stoichiometric and catalytic deuteration of pyridine, 3-methylpyridine, and 4-methylpyridine by means of H/D exchanges between the heterocycles and the solvent. The deuteration rates of the pyridinie C-H bonds depend upon their positions in the heterocycles. For pyridine, they increase as the C-H bonds are separated from the heteroatom. A methyl substituent has a marked negative effect on the deuteration of its adjacent C-H bonds. The kinetic analysis of the deuteration reveals that the rate-determining step for the H/D exchanges is the C-H activation of the bond that is deuterated. DFT calculations show that this step is formed by two elemental stages: the direct coordination of the C-H bond and its subsequent rupture.

  DOI：

  10.1021/om900335b
• 作为产物：
  描述：

  4-甲基吡啶 、 Os(hydride)6(triisopropylphosphine)2 以 甲苯 为溶剂， 以96%的产率得到[OsH4(4-methylpyridine)(P(i-Pr)3)2]
  参考文献：
  名称：

  Stoichiometric and Catalytic Deuteration of Pyridine and Methylpyridines by H/D Exchange with Benzene-d₆ Promoted by an Unsaturated Osmium Tetrahydride Species

  摘要：

  Treatment of toluene solutions of the hexahydride complex OsH6((PPr3)-Pr-i)(2) (1) With pyridine, 3-methylpyridine, and 4-triethylpyridine affords the tetrahydride derivatives OsH4(Rpy)((PPr3)-Pr-i)(2) (Rpy = py (3), 3-methylpyridine (4), and 4-methylpyridine (5)). In benzene-d(6), these compounds release the heterocycles, and the resulting unsaturated tetrahydride OsH4((PPr3)-Pr-i)(2) (2) promotes the stoichiometric and catalytic deuteration of pyridine, 3-methylpyridine, and 4-methylpyridine by means of H/D exchanges between the heterocycles and the solvent. The deuteration rates of the pyridinie C-H bonds depend upon their positions in the heterocycles. For pyridine, they increase as the C-H bonds are separated from the heteroatom. A methyl substituent has a marked negative effect on the deuteration of its adjacent C-H bonds. The kinetic analysis of the deuteration reveals that the rate-determining step for the H/D exchanges is the C-H activation of the bond that is deuterated. DFT calculations show that this step is formed by two elemental stages: the direct coordination of the C-H bond and its subsequent rupture.

  DOI：

  10.1021/om900335b